NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1948 8.3144 121.7880 55.9478 34.0332 175.4976
  2     R  4.3324 7.7708 117.8482 52.8530 31.0677 173.5457
  3     R  4.6657 8.8137 121.3537 54.5238 33.4817 174.3178
  4     R  4.1246 8.1946 117.4698 56.3266 30.7438 176.4715
  5     H  4.7579 8.3912 116.7296 53.0419 30.7811 172.0312
  6     P  4.3986 0.0000   0.0000 62.4321 31.6976 176.6702
  7     S  4.1964 8.2930 116.1778 59.6309 63.5290 174.7784
  8     G  4.0477 8.5992 109.8277 46.0105  0.0000 173.5424

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     K  8.31 4.19 0.00 1.73 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 
  2     R  7.77 4.33 0.00 1.89 1.81 0.00 3.28 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 
  3     R  8.81 4.67 0.00 1.80 1.78 0.00 2.85 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 
  4     R  8.19 4.12 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 
  5     H  8.39 4.76 0.00 3.04 3.21 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     P  0.00 4.40 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 
  7     S  8.29 4.20 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     G  8.60 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00